Interaction second virial coefficients from a recent H2–CO potential energy surface
- 1 March 2000
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 112 (9) , 4417-4418
- https://doi.org/10.1063/1.480989
Abstract
Interaction second virial coefficients for mixtures of hydrogen and CO are computed from a recent rigid rotor potential energy surface [J. Chem. Phys. 108, 3554 (1998)]. The calculations include the most important quantum corrections. A comparison with experimental data indicates that the attractive well of the ab initio surface is too deep by 4%–9%.Keywords
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